4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid

C15H22N2O2 — CID 63883397

IUPAC4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC1CCCC(N(C)Cc2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-5-13(8-11)17(2)10-12-6-7-16-14(9-12)15(18)19/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,18,19)
InChIKeyAAPKSHRERNSDTK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.79
Rot. Bonds4

About 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid

4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 63883397) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID63883397
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC1CCCC(N(C)Cc2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-5-13(8-11)17(2)10-12-6-7-16-14(9-12)15(18)19/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,18,19)
InChIKeyAAPKSHRERNSDTK-UHFFFAOYSA-N
XLogP2.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid (CID 63883397) is 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid is CC1CCCC(N(C)Cc2ccnc(C(=O)O)c2)C1.
What is the InChIKey of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is AAPKSHRERNSDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-3-5-13(8-11)17(2)10-12-6-7-16-14(9-12)15(18)19/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,18,19).
What are the key properties of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid?
4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63883397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).